N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(3-methylphenyl)-3-nitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(3-methylphenyl)-3-nitro-benzamide Openeye Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(m-tolyl)-3-nitro-benzamide CAS Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)-3-nitrobenzamide IUPAC Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(3-methylphenyl)-3-nitrobenzamide Traditional Name: N-(1,1-diketo-2,3-dihydrothiophen-3-yl)-N-(m-tolyl)-3-nitro-benzamide Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c1-13-4-2-6-15(10-13)19(17-8-9-26(24,25)12-17)18(21)14-5-3-7-16(11-14)20(22)23/h2-11,17H,12H2,1H3